Mol:FL7AAAGL0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-3.5617 1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5617 0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8605 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1594 0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1594 1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8605 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4582 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7571 0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7571 1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4582 1.7647 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0563 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6582 1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3728 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3728 2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6582 3.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0563 2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 3.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2624 1.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8605 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0938 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3776 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8891 -2.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8286 -1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7738 -2.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2624 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3229 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5336 -1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2704 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7818 -0.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7214 0.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6666 -0.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1552 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2157 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3850 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8385 1.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8821 0.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4606 -0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1026 -0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2812 -2.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2367 -2.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7738 -3.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0007
FORMULA C27H31O14
EXACTMASS 579.1713807
AVERAGEMASS 579.52664
SMILES O(C1C)C(OCC(O2)C(O)C(C(C2Oc(c4c(c5)ccc(O)c5)cc(c3[o+1]4)c(cc(c3)O)O)O)O)C(C(O)C(O)1)O
M END
